CID 201918

4-octyl-1,1'-biphenyl

Structural Information

Molecular Formula
C20H26
SMILES
CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3
InChIKey
KCLBLDDJJJNGBC-UHFFFAOYSA-N
Compound name
1-octyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

195
Patents

266.20346 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21074 166.9
[M+Na]+ 289.19268 171.9
[M-H]- 265.19618 172.4
[M+NH4]+ 284.23728 183.3
[M+K]+ 305.16662 166.5
[M+H-H2O]+ 249.20072 158.7
[M+HCOO]- 311.20166 189.3
[M+CH3COO]- 325.21731 201.3
[M+Na-2H]- 287.17813 171.0
[M]+ 266.20291 168.4
[M]- 266.20401 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.